N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide

C28H20Br2Cl2N2O3 — CID 19657611

IUPACN-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H20Br2Cl2N2O3/c29-21-12-20(27(24(30)13-21)37-16-18-6-2-1-3-7-18)15-33-34-28(35)23-8-4-5-9-26(23)36-17-19-10-11-22(31)14-25(19)32/h1-15H,16-17H2,(H,34,35)/b33-15+
InChIKeyVKVLBMNELZYEEJ-ROPCREHHSA-N
MW663.19 g/mol
LogP8.44
Rot. Bonds9

About N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide

N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (PubChem CID 19657611) has the molecular formula C28H20Br2Cl2N2O3 and a molecular weight of 663.19 g/mol. Its IUPAC name is N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
PubChem CID19657611
Molecular FormulaC28H20Br2Cl2N2O3
Molecular Weight663.19 g/mol
Exact Mass659.92
IUPAC NameN-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
SMILESO=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H20Br2Cl2N2O3/c29-21-12-20(27(24(30)13-21)37-16-18-6-2-1-3-7-18)15-33-34-28(35)23-8-4-5-9-26(23)36-17-19-10-11-22(31)14-25(19)32/h1-15H,16-17H2,(H,34,35)/b33-15+
InChIKeyVKVLBMNELZYEEJ-ROPCREHHSA-N
XLogP8.44
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.19
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-bromophenyl)methoxy]-N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzamide
CID 97413810
2-[(4-bromophenyl)methoxy]-N-[(2,4-dichlorophenyl)methylideneamino]benzamide
CID 71960142
2-bromo-N-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 17245231
N-[(E)-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-methoxy-4-phenylmethoxybenzamide
CID 126334236
2-[(2,4-dichlorophenyl)methoxy]-N-[(E)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 19657560
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
N-[(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylacetamide
CID 3927693
N-[(E)-(2-bromo-5-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 6874271
N-[(Z)-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-phenylmethoxybenzamide
CID 19657867
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657531
N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657799
2-[(4-chlorophenyl)methoxy]-N-[(2-chlorophenyl)methylideneamino]benzamide
CID 75087398

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide (CID 19657611) is N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is O=C(N/N=C/c1cc(Br)cc(Br)c1OCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is VKVLBMNELZYEEJ-ROPCREHHSA-N. The full InChI is InChI=1S/C28H20Br2Cl2N2O3/c29-21-12-20(27(24(30)13-21)37-16-18-6-2-1-3-7-18)15-33-34-28(35)23-8-4-5-9-26(23)36-17-19-10-11-22(31)14-25(19)32/h1-15H,16-17H2,(H,34,35)/b33-15+.
What are the key properties of N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide?
N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 663.19 g/mol, XLogP of 8.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dibromo-2-phenylmethoxyphenyl)methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 19657611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).